CID 53484283

3-ethenyloxetan-3-ol

Structural Information

Molecular Formula
C5H8O2
SMILES
C=CC1(COC1)O
InChI
InChI=1S/C5H8O2/c1-2-5(6)3-7-4-5/h2,6H,1,3-4H2
InChIKey
IRTNICKAXISCBY-UHFFFAOYSA-N
Compound name
3-ethenyloxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

100.05243 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 113.9
[M+Na]+ 123.04165 120.6
[M-H]- 99.045154 117.3
[M+NH4]+ 118.08625 130.7
[M+K]+ 139.01559 124.1
[M+H-H2O]+ 83.049690 106.1
[M+HCOO]- 145.05063 134.8
[M+CH3COO]- 159.06628 165.9
[M+Na-2H]- 121.02710 123.3
[M]+ 100.05188 121.9
[M]- 100.05298 121.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe